SCHEMBL13619795

SCHEMBL13619795

CC1(C)c2ccccc2N(CCOCCBr)C12C=Nc1c(ccc3ccccc13)O2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
THRB P10828 5/20 0.66
KDM4E B2RXH2 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALOX12 P18054 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
PKM P14618 2/20 0.66
LMNA P02545 4/20 0.54
GAA P10253 4/20 0.54
RECQL P46063 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14440509 0.92 MAPT (0.67) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14077749 0.91 MAPT (0.68) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619848 0.90 MAPT (0.73) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14428006 0.89 MAPT (0.61) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14439755 0.86 MAPT (0.58) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9061457 0.86 MAPT (0.67) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619825 0.85 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619894 0.85 MAPT (0.46) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL12410812 0.84 MAPT (0.73) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14427990 0.84 MAPT (0.72) MAPTTHRBKDM4ESMN1; SMN2ALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885KDM4E 2669/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885KDM4E 2669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.